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root/group/branches/new_design/OOPSE-4/src/primitives/RigidBody.hpp
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Comparing branches/new_design/OOPSE-4/src/primitives/RigidBody.hpp (file contents):
Revision 1692 by tim, Mon Nov 1 20:15:58 2004 UTC vs.
Revision 1813 by tim, Wed Dec 1 17:38:32 2004 UTC

# Line 37 | Line 37 | namespace oopse{
37  
38   #include "primitives/StuntDouble.hpp"
39   #include "primitives/DirectionalAtom.hpp"
40 + #include "types/AtomStamp.hpp"
41   namespace oopse{
42      class RigidBody : public StuntDouble {
43          public:
# Line 51 | Line 52 | namespace oopse{
52             /**
53               * Sets  the current rotation matrix of this stuntdouble
54               * @param a  new rotation matrix
55 +             * @note setA will not change the position and rotation matrix of Directional atoms belong to
56 +             * this rigidbody. If you want to do that, use #updateAtoms
57               */        
58              virtual void setA(const RotMat3x3d& a);
59             /**
# Line 69 | Line 72 | namespace oopse{
72  
73  
74              /** Sets the internal unit frame of this stuntdouble by three euler angles */
75 <            void setUnitFrameFromEuler(double phi, double theta, double psi);
75 >            void setElectroFrameFromEuler(double phi, double theta, double psi);
76              
77              /**
78               * Returns the gradient of this stuntdouble
# Line 80 | Line 83 | namespace oopse{
83  
84              virtual void accept(BaseVisitor* v);
85  
86 <            void addAtom(Atom* atom);
86 >            void addAtom(Atom* at, AtomStamp* ats);
87  
88              /** calculate the reference coordinates */
89              void calcRefCoords();
# Line 91 | Line 94 | namespace oopse{
94              /** update the positions of atoms belong to this rigidbody */
95              void updateAtoms();
96  
97 +            Atom* beginAtom(std::vector<Atom*>::iterator& i);
98 +
99 +            Atom* nextAtom(std::vector<Atom*>::iterator& i);
100 +
101 +            std::vector<Atom*>::iterator getBeginAtomIter() {
102 +                return atoms_.begin();
103 +            }
104 +            
105 +            std::vector<Atom*>::iterator getEndAtomIter() {
106 +                return atoms_.end();
107 +            }
108 +
109              /**
110               * Returns the atoms of this rigid body
111               * @return the atoms of this rigid body in a vector
112 +             * @deprecate
113               */          
114              std::vector<Atom*> getAtoms() {
115                  return atoms_;
# Line 162 | Line 178 | namespace oopse{
178              
179              std::vector<Atom*> atoms_;
180              std::vector<Vector3d> refCoords_;
181 +            std::vector<RotMat3x3d> refOrients_;
182      };
183  
184   }//namepace oopse

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